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This was discovered while using the Plot Kinetics tool on the website.
The input included pressure dependent rates in PLOG format, but with two sets of Arrhenius parameters at each pressure. RMG parsed this as a PDepArrhenius object with a MultiArrhenius rate at each pressure. However, the generateReverseRateCoefficient function assumes that PDepArrhenius objects only have Arrhenius rates for each pressure, and errors while trying to calculate the reverse rate.
Questions:
Is this the correct way for RMG to be interpreting the rate?
If so, is it ok to modify generateReverseRateCoefficient to recognize such a form?
The text was updated successfully, but these errors were encountered:
See PR #329 which fixed issue #147 which has a detailed write-up. I think after Connie's fix the answer to you first bullet point is yes, and thus it'd be helpful if we could reverse such rates, somehow.
This was discovered while using the Plot Kinetics tool on the website.
The input included pressure dependent rates in PLOG format, but with two sets of Arrhenius parameters at each pressure. RMG parsed this as a PDepArrhenius object with a MultiArrhenius rate at each pressure. However, the
generateReverseRateCoefficient
function assumes that PDepArrhenius objects only have Arrhenius rates for each pressure, and errors while trying to calculate the reverse rate.Questions:
generateReverseRateCoefficient
to recognize such a form?The text was updated successfully, but these errors were encountered: